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Found 2 papers, 2 papers with code
Atomic structure generation from reconstructing structural fingerprints
These methods would help identify or, in the case of generative models, even create novel crystal structures of materials with a set of specified functional properties to then be synthesized or isolated in the laboratory.
Inverse design of two-dimensional materials with invertible neural networks
The ability to readily design novel materials with chosen functional properties on-demand represents a next frontier in materials discovery.
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